6BJR
Crystal structure of prothrombin mutant S101C/A470C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2017-05-22 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 114.126, 124.175, 157.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 6.000 |
R-factor | 0.23935 |
Rwork | 0.237 |
R-free | 0.29290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5edm |
RMSD bond length | 0.009 |
RMSD bond angle | 1.450 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 6.200 |
High resolution limit [Å] | 6.000 | 6.000 |
Rmerge | 0.180 | 0.800 |
Number of reflections | 2633 | 167 |
<I/σ(I)> | 9.3 | 1.7 |
Completeness [%] | 87.6 | 59.7 |
Redundancy | 9 | 6.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.5 | 277 | 100 mM Bicine, pH 8.5 and 16% PEG3350 |